2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine

C13H21N3S2 — CID 79966267

IUPAC2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(C2CSCCS2)n1
InChIInChI=1S/C13H21N3S2/c1-3-5-14-12-8-10(4-2)15-13(16-12)11-9-17-6-7-18-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyWZMRZXLVVLPCKC-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.38
Rot. Bonds5

About 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine

2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine (PubChem CID 79966267) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
PubChem CID79966267
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(C2CSCCS2)n1
InChIInChI=1S/C13H21N3S2/c1-3-5-14-12-8-10(4-2)15-13(16-12)11-9-17-6-7-18-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16)
InChIKeyWZMRZXLVVLPCKC-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine (CID 79966267) is 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(C2CSCCS2)n1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is WZMRZXLVVLPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-3-5-14-12-8-10(4-2)15-13(16-12)11-9-17-6-7-18-11/h8,11H,3-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine?
2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 283.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-6-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79966267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).